N-ethyl-2-[(4-methanoyl-3-methyl-phenyl)amino]propanenitrilium

Systemtic Name: N-ethyl-2-[(4-methanoyl-3-methyl-phenyl)amino]propanenitrilium Openeye Name: N-ethyl-2-(4-formyl-3-methyl-anilino)propanenitrilium CAS Name: N-ethyl-2-(4-formyl-3-methylanilino)propanenitrilium IUPAC Name: N-ethyl-2-(4-formyl-3-methylanilino)propanenitrilium Traditional Name: N-ethyl-2-(4-formyl-3-methyl-anilino)propiononitrilium Formula: C13H17N2O+ MolecularWeight: 217.28688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]#CC(C)NC1=CC(=C(C=C1)C=O)C

Isomeric SMILES

CC[N+]#CC(C)NC1=CC(=C(C=C1)C=O)C

InChI

InChI=1S/C13H16N2O/c1-4-14-8-11(3)15-13-6-5-12(9-16)10(2)7-13/h5-7,9,11H,4H2,1-3H3/p+1